SCHEMBL3973053

SCHEMBL3973053

CC(C)(C)Oc1ccc([I+]c2ccccc2)cc1.Cc1ccccc1S(=O)(=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD11B1 P28845 1/20 0.32
IDH1 O75874 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KEAP1 Q14145 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1052882 0.86 KEAP1 (0.43) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL1270991 0.85 ALDH1A1 (0.37) POLBMEN1KMT2AALDH1A1ESR1
SCHEMBL64191 0.84 HTT (0.43) MEN1KMT2AALDH1A1ATMCYP1A2
SCHEMBL8073829 0.83 PPARA (0.37) POLBMEN1KMT2AALDH1A1CYP2C19
SCHEMBL5707382 0.83 ALDH1A1 (0.36) POLBMEN1KMT2AALDH1A1CYP2C19
Trifluoromethanesulfonic Acid SCHEMBL64774 0.82 GPR3 (0.37) MEN1KMT2AALDH1A1HSD11B1KEAP1
SCHEMBL248257 0.81 KIF11 (0.40) MEN1KMT2AALDH1A1CYP1A2CYP2C9
Trifluoromethanesulfonic Acid SCHEMBL3161572 0.80 HSD11B1 (0.40) POLBMEN1KMT2AALDH1A1ESR1
SCHEMBL7733544 0.79 NR3C2 (0.43) POLBMEN1KMT2AALDH1A1ESR1
SCHEMBL175822 0.79 HSD11B1 (0.43) ALDH1A1HSD11B1HTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018271-A2 PHOTOIMAGEABLE NOZZLE MEMBERS AND METHODS RELATING THERETO Lexmark International, Inc. (US) 2009-01-28 EP disclosed
WO-2007041176-A2 PHOTOIMAGEABLE NOZZLE MEMBERS AND METHODS RELATING THERETO LEXMARK INTERNATIONAL, INC. (US) 2007-04-12 WO disclosed